Spectrum Details
CDB ID:CDB000704
Compound name:3,5-Octadien-2-one
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0a4i-4900000000-0c2d07318c3d6d5211e6
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Negative
Collision Energy:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C8H12O
Molecular Weight (Monoisotopic Mass):124.0888 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file163 Bytes
Peak assignments (TSV)Download file293 Bytes
mzML formatted file (MZML)Download file4.23 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]